| Name |
TR-Saponin A |
| Formula |
C51H76O20 |
| Mw |
1008.49299487 |
| CAS RN |
288153-04-8 |
| C_ID |
C00037961
, 
|
| InChIKey |
DWVZOVIPPVGBET-DPUNJECPNA-N |
| InChICode |
InChI=1S/C51H76O20/c1-11-22(3)41(62)70-38-39(71-42(63)23(4)12-2)51(21-52)25(19-46(38,5)6)24-13-14-27-47(7)17-16-29(49(9,45(64)65)28(47)15-18-48(27,8)50(24,10)36(58)37(51)59)67-44-33(57)34(32(56)35(69-44)40(60)61)68-43-31(55)30(54)26(53)20-66-43/h11-13,25-39,43-44,52-59H,14-21H2,1-10H3,(H,60,61)(H,64,65)/b22-11-,23-12-/t25-,26-,27+,28+,29-,30-,31+,32-,33+,34-,35-,36-,37+,38-,39-,43-,44+,47-,48+,49-,50-,51-/m0/s1 |
| SMILES |
C/C=C(/C)C(=O)O[C@H]1[C@H](OC(=O)/C(C)=CC)[C@]2(CO)[C@H](O)[C@H](O)[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O[C@@H]7OC[C@H](O)[C@H](O)[C@H]7O)[C@H]6O)[C@@](C)(C(=O)O)[C@@H]5CC[C@]43C)[C@@H]2CC1(C)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Theaceae | Camellia sinensis var.assamica  | Ref. |
|
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